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1-(3,5-dimethoxyphenyl)hexan-1-one
SpectraBase Compound ID J8C0DFBfm78
InChI InChI=1S/C14H20O3/c1-4-5-6-7-14(15)11-8-12(16-2)10-13(9-11)17-3/h8-10H,4-7H2,1-3H3
InChIKey BVDLGFIFSKUZJL-UHFFFAOYSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BI9NSn5k2ab
Name 1-(3,5-dimethoxyphenyl)hexan-1-one
Appearance white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-4-5-6-7-14(15)11-8-12(16-2)10-13(9-11)17-3/h8-10H,4-7H2,1-3H3
InChIKey BVDLGFIFSKUZJL-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201814373
Molecular Weight 236.311 g/mol
Reported Formula C14H20O3
SMILES COc1cc(cc(c1)C(CCCCC)=O)OC
SPLASH splash10-0gbi-0900000000-afe4cdaad6695e0f9e1b
Source of Spectrum ACI-58-SM33-15a
Thin-Layer Chromatography Rf = 0.25 (SiO2, i-hexane/EtOAc, 8:1)
Wiley ID 1843166